Mechanics of 2D materials - unitn.itpugno/NP_PDF/Lectures/Mechanics-of-2D materials... · Exercises...

MECHANICS OF 2D

MATERIALS

Nicola Pugno Cambridge

February 23rd, 2015

Outline

• Stretching Stress

Strain

Stress-Strain curve

• Mechanical Properties Young’s modulus

Strength

Ultimate strain

Toughness modulus

• Size effects on energy dissipated

2

• Linear Elastic Fracture Mechanics (LEFM) Stress-intensity factor

Energy release rate

Fracture toughness

Size-effect on fracture strength

• Quantized Fracture Mechanics (QFM) Strength of graphene (and related materials)

• Bending Flexibility

Bending stiffness

Elastic line equation

Elastic plate equation

3

Exercises by me

1. Apply QFM for deriving the strength of realistic thus defective

graphene (and related 2D materials);

2. Apply LEFM for deriving the peeling force of graphene (and

related 2D materials).

Exercises by you

1. Apply LEFM for measuring the fracture toughness of a sheet

of paper;

2. Apply the Bending theory for calculating the maximal

curvature before fracture.

4

Stretching Fiber under tension

A 𝑙

F

F

∆𝑙

2

∆𝑙

2

Stress: 𝜎 =𝐹

𝐴

Strain: 휀 =∆𝑙

𝑙

5

Stress-strain curve:

Signature of the material and main tool for deriving its

mechanical properties

σ

ε

A

C

D B

x

x x

x = failure

If the curve is monotonic, a

force-control is sufficient.

You can derive AB in

displacement control, CD in

crack-opening. The dashed

area is the kinetic energy

released per unit volume

under displacement control.

6

Mechanical properties σ

ε

x

𝜎𝑚𝑎𝑥

휀𝑢

1

𝐸 𝐸

𝑉

𝑑𝜎

𝑑𝜀 0

≡ 𝐸 ≡ Young’s modulus

𝜎𝑚𝑎𝑥 = maximum stress ≡ Strength

휀𝑢 = ultimate strain

𝜎𝑑휀 =𝐸

𝑉=

𝜀𝑢

0 Energy dissipated per unit volume or Toughness modulus.

𝐸 = 𝐹𝑑𝑙 𝑉 = 𝐴𝑙

𝐸

𝑉=

𝐹

𝐴

𝑑𝑙

𝑙= 𝜎𝑑휀

The toughness modulus is a material

property only for ductile materials.

7

The post-critical behaviour is size-dependent especially for brittle

materials.

σ

ε

𝑙 0

∞

𝑙 → 0 ductile

𝑙 → ∞ brittle

Size-effects

8

𝐸 = 𝐺𝑐𝐴

𝐺𝑐 ≡ fracture energy or energy

dissipated per unit area

𝜎𝑑휀 ≡𝐸

𝑉=

𝐺𝑐𝐴

𝑙𝐴=

𝐺𝑐

𝑙

For brittle materials 𝐸

𝑉 has no meaning: instead of the toughness modulus we

have to use the fracture energy.

Fracture

The reality is in between: energy dissipated on a fractal domain:

𝐸

𝑉∝ 𝑙 𝐷−3 𝑙 = 𝑉

3

D is the fractal exponent, 2 ≤ 𝐷 ≤ 3

9

10

Fracture Mechanics

σ

𝜎𝑡𝑖𝑝

2a r

𝐾𝐼 ≡ Stress intensity factor

𝜎𝑡𝑖𝑝~𝐾𝐼

2𝜋𝑟

constant

Elastic solution is singular:

We cannot say

𝜎𝑓: 𝜎𝑡𝑖𝑝 = 𝜎𝑚𝑎𝑥

𝜎𝑓 stress at fracture

11

Linear Elastic Fracture Mechanics

(LEFM) Griffith’s approach

𝐺 = −𝑑𝑊

𝑑𝐴 𝑊 = 𝐸 − 𝐿

Energy release

rate Crack surface

area

Total potential

energy

Stored elastic

energy

External work

Crack propagation criterion:

𝑮 = 𝑮𝑪 𝐺𝑐 ≡ fracture energy

𝐺 =𝐾𝐼

𝐸 Elastic solution

𝐾𝐼 only for a function of external load and geometry

𝑲𝑰 = 𝑲𝑰𝑪 𝐾𝐼𝐶 = 𝐺𝐶𝐸 Fracture toughness

12

𝐾𝐼 values reported in stress-intensity factor Handbooks

E.g., infinite plate (i.e. width ≫ crack length ~ graphene)

𝐾𝐼 = 𝜎 𝜋𝑎

Strength of graphene with a crack of length 2𝑎

𝐾𝐼 = 𝜎 𝜋𝑎 = 𝐾𝐼𝐶

𝜎𝑓 =𝐾𝐼𝐶

𝜋𝑎

Assuming statistically 𝑎 ∝ 𝑙 ≡ structural size:

𝜎𝑓 ∝ 𝑙 −1

2

Size effect on a fracture strength larger is weaker

problem of the scaling up….

13

Paradox 𝜎𝑓 → ∞ 𝑎 → 0

With graphene pioneer Rod Ruoff we invented Quantized Fracture

Mechanics (2004).

The hypothesis of the continuous crack growth is removed: existence of

fracture quanta due to the discrete nature of matter.

14

Related papers:

N. M. Pugno, “Dynamic quantized fracture mechanics”, Int. J. Fract, 2006

N. M. Pugno, “New quantized failure criteria: application to nanotubes and

nanowires”, Int. J. Fract, 2006

15

Quantized Fracture Mechanics (QFM)

𝐺∗ = −∆𝑊

∆𝐴

Quantized energy

release rate

∆𝐴 = fracture quantum of surface area = 𝑞𝑡

Plate

thickness

Fracture

quantum

of length

𝑮∗ = 𝑮𝑪

𝐺 = −𝑑𝑊

𝑑𝐴 ∆𝑊 = − 𝐺𝑑𝐴 = −

𝐾𝐼2

𝐸𝑑𝐴

𝐺∗ = −∆𝑊

∆𝐴=

𝐾𝐼

2

𝐸 𝑑𝐴

∆𝐴 𝐺∗ = 𝐺𝑐

1

∆𝐴

𝐾𝐼2

𝐸𝑑𝐴 =

𝐾𝐼𝐶2

𝐸

Quantized stress-intensity factor (generalized): 𝐾𝐼∗ =

1

∆𝐴 𝐾𝐼

2 𝑑𝐴 = 𝐾𝐼𝐶

16

Monolayer graphene and examples

Tennis racket made of

graphene (Head ©)

Young’s modulus ≡ 𝐸 = 1 TPa

Intrinsic strength 𝜎𝑖𝑛𝑡 = 130 GPa

Ultimate strain 휀𝑢 = 25 %

C. Lee, X. Wei, J.W. Kysar, J. Hone,

“Measurement of the elastic properties and intrinsic strength of monolayer graphene”, Science, 2008 :

Monolayer graphene hanging on a

silicon substrate (scale bar: 50µm) Tensile test on macro samples

of graphene composites

17

Carbon nanotubes

The MWCNTs breaks in the outermost layer

(“sword-in-sheath” failure),

Young’s modulus ≡ 𝐸 =250 to 950 GPa

Tensile strength σ = 11 to 63 GPa

Ultimate strain 휀𝑢 = 12 %

Min-Feng Yu, Oleg Lourie, Mark J. Dyer, Katerina Moloni, Thomas F. Kelly, Rodney S. Ruoff, “Strength and

Breaking Mechanism of Multiwalled Carbon Nanotubes Under Tensile Load”, Science, 2000:

Multiwalled carbon nanotubes (MWCNTs)

The singlewalled carbon nanotubes

(SWCNTs) presents:

Young’s modulus ≡ 𝐸 =1000 GPa

Tensile strength σ = 300 GPa

Ultimate strain 휀𝑢 = 30 %

18

Exercise 1

E.g., infinite plate

𝐾𝐼 = 𝜎 𝜋𝑎

𝐾𝐼∗ =

1

𝑞𝑡 𝜎2𝜋𝑎𝑡 𝑑𝑎

𝑎+𝑞

𝑎

= 𝜎𝜋

2𝑞𝑎 + 𝑞 2 − 𝑎2 = 𝜎 𝜋 𝑎 +

𝑞

2

Strength of graphene 𝐾𝐼∗ = 𝐾𝐼𝐶

𝜎𝑓 =𝐾𝐼𝐶

𝜋 𝑎 +𝑞2

𝑎 ↑ 𝜎𝑓 ↓

Unstable crack growth

19

𝑞 → 0 Correspondence Principle 𝑄𝐹𝑀 → 𝐿𝐸𝐹𝑀

𝑎 → 0 𝜎𝑓 = 𝜎𝑖𝑑𝑒𝑎𝑙

𝜎𝑖𝑑𝑒𝑎𝑙 =𝐾𝐼𝐶

𝜋𝑞2

⟹ 𝑞 =2

𝜋

𝐾𝐼𝐶2

𝜎𝑖𝑑𝑒𝑎𝑙2

𝑞

𝜎𝑖𝑑𝑒𝑎𝑙 ~ 100 GPa

𝜎𝑓 =𝐾𝐼𝐶

𝜋 𝑎 +𝑞2

𝐾𝐼𝐶 ~ 3MPa m

(QFM 2004)

Very close to predictions

by MD and DFT

Very close to experimental

measurement (2014)

𝜎𝑖𝑑𝑒𝑎𝑙 ~ 𝐸

10 𝐸~1 TPa

P. Zhang, L. Ma, F. Fan, Z. Zeng, C. Peng, P. E. Loya, Z. Liu, Y. Gong, J. Zhang, X. Zhang, P. M. Ajayan, T.

Zhu & J. Lou, Fracture toughness of graphene, Nature, 2014

20

Exercise 2 Peeling of graphene

𝜃

𝛿

𝑙

𝐹

𝐸 → ∞ 𝐸 → 0

𝛿 = 𝑙 − 𝑙 cos 𝜃

𝐺 = −𝑑𝑊

𝑑𝐴=

𝑑𝐿

𝑑𝐴 𝐿 = 𝐹𝑑 𝑑𝐴 = 𝑏𝑑𝑙

𝐺 =𝑑

𝑏𝑑𝑙𝐹𝑙 1 − cos 𝜃 =

𝐹 1 − cos 𝜃

𝑏

𝐺 = 𝐺𝐶 ⟹ 𝐹𝐶 =𝑏𝐺𝐶

1 − cos 𝜃

𝐹𝐶 strongly dependent on 𝜃

N. M. Pugno, “The theory of multiple peeling”, Int. J. Fract, 2011

21

Exercise 3

Apply LEFM for measuring the fracture

toughness of a sheet of paper with a

crack of a certain length in the middle:

22

Bending theory Bending of beams

ℎ

𝑏

𝑑𝑧

𝑅𝑋

𝑑𝜑𝑋

𝑑𝑧

𝑀𝑥 𝑀𝑥

Bending Moment

𝑑𝜑𝑋

2

𝑧 𝑦

휀𝑑𝑧

2≅ 𝑦

𝑑𝜑𝑋

2

𝜎𝑧 =𝑀𝑥

𝐼𝑥𝑦 ≅ 𝐾𝑦 𝑀𝑥 = 𝜎𝑧𝑦𝑏𝑑𝑦

ℎ2

−ℎ2

= 𝐾𝐼𝑥

𝜒𝑥 =1

𝑅𝑥=

𝑑𝜑𝑥

𝑑𝑧=

휀𝑧

𝑦=

𝜎𝑧

𝐸𝑦=

𝑀𝑥

𝐼𝑥𝐸

𝜒𝑚𝑎𝑥 =휀𝑧,𝑚𝑎𝑥

ℎ 2

Moment of inertia

𝐼𝑥 =𝑏ℎ3

12

23

Exercise 4 Derive the maximal graphene curvature.

For graphene ℎ = 𝑡 ≅ 0.34 𝑛𝑚 → 𝜒𝑚𝑎𝑥huge → flexibility is more a structural

than a material property

𝜑𝑥 = −𝑑𝑣

𝑑𝑧 ⟹

𝑑2𝑣

𝑑𝑧2 = −𝑀𝑥

𝐼𝑥𝐸

𝑑𝑧

M M

q T T

N N

𝑑𝑇

𝑑𝑧= −𝑞

𝑑𝑀

𝑑𝑧= 𝑇

⟹ 𝑑4𝑣

𝑑𝑧4 =𝑞

𝐼𝑥𝐸

Elastic line equation

Load per unit length

For plates: 𝛻4𝑊 =𝑞

𝐷

Elastic plane equation

Load per unit area

Bending stiffness 𝐷 =𝐸𝑡3

12 1 − 𝜈2